2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide

C19H22N2O2 — CID 113169298

IUPAC2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide
SMILESCCc1ccc(N(CC(=O)N(C)c2ccccc2)C(C)=O)cc1
InChIInChI=1S/C19H22N2O2/c1-4-16-10-12-18(13-11-16)21(15(2)22)14-19(23)20(3)17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3
InChIKeyBTPCAXLMGLAIAL-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.26
Rot. Bonds5

About 2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide

2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide (PubChem CID 113169298) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide
PubChem CID113169298
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide
SMILESCCc1ccc(N(CC(=O)N(C)c2ccccc2)C(C)=O)cc1
InChIInChI=1S/C19H22N2O2/c1-4-16-10-12-18(13-11-16)21(15(2)22)14-19(23)20(3)17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3
InChIKeyBTPCAXLMGLAIAL-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
CID 113173931
2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide
CID 113172243
2-(N-acetyl-4-ethylanilino)-N-(2-phenylethyl)acetamide
CID 113169247
2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide
CID 113172989
3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide
CID 113128623
2-(N-acetyl-4-ethylanilino)-N-(2-methylphenyl)acetamide
CID 113169295
2-(4-ethyl-N-propanoylanilino)acetic acid
CID 28766085
2-[acetyl(cyclopropyl)amino]-N-methyl-N-phenylacetamide
CID 113158391
N-[3-(dimethylamino)propyl]-N-(4-ethylphenyl)acetamide
CID 137469739
N-(4-ethylphenyl)-N-methyl-2-oxopropanamide
CID 115175422
3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide
CID 113126191
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide (CID 113169298) is 2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide is CCc1ccc(N(CC(=O)N(C)c2ccccc2)C(C)=O)cc1.
What is the InChIKey of 2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide?
The InChIKey is BTPCAXLMGLAIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-16-10-12-18(13-11-16)21(15(2)22)14-19(23)20(3)17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3.
What are the key properties of 2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide?
2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide has a molecular weight of 310.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 113169298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).